SCHEMBL6840339

SCHEMBL6840339

CCCCOC1CC2OC2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPP5C P53041 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
HTR2A P28223 1/20 0.33
SCN1A P35498 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GBA1 P04062 2/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18603166 1.00 PPP5C (0.42) PPP5CSMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL18605299 1.00 PPP5C (0.42) PPP5CSMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL11789856 0.92 GBA1 (0.42) PPP5CALDH1A1HPGDMAPK1SIGMAR1
SCHEMBL13321431 0.88 PPP5C (0.39) PPP5CSMN1; SMN2ALDH1A1EPHX2TDP1
SCHEMBL11788384 0.86 PPM1B (0.34) PPP5CCHRM2CHRM1
SCHEMBL21663262 0.83 PPP5C (0.38) PPP5CSMN1; SMN2ALDH1A1EPHX2TDP1
SCHEMBL6852785 0.81 PPP5C (0.54) PPP5CSMN1; SMN2GBA1
SCHEMBL13423667 0.81 ALDH1A1 (0.40) PPP5CALDH1A1GBA1EPHX2TDP1
SCHEMBL11787467 0.81 ALDH1A1 (0.40) PPP5CALDH1A1GBA1EPHX2TDP1
SCHEMBL13935554 0.81 ALDH1A1 (0.40) PPP5CALDH1A1GBA1EPHX2TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-03-09 US disclosed
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 WO disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 WO disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PPP5C 766/4885SMN1; SMN2 1468/4885ALDH1A1 4226/4885
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK2, NTRK3, NTRK1 PPP5C 114/4885SMN1; SMN2 5/4885ALDH1A1 3794/4885
US-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H PPP5C 835/4885SMN1; SMN2 785/4885ALDH1A1 3920/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E PPP5C 751/4885SMN1; SMN2 1582/4885ALDH1A1 4256/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PPP5C 965/4885SMN1; SMN2 1174/4885ALDH1A1 3559/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E PPP5C 751/4885SMN1; SMN2 1582/4885ALDH1A1 4256/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.